SCHEMBL4057458

SCHEMBL4057458

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2cc(F)ccc12)C(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.52
CNR2 P34972 2/20 0.40
GUCY1A1 Q02108 2/20 0.38
GUCY1B1 Q02153 2/20 0.38
KDM4C Q9H3R0 2/20 0.37
ROCK1 Q13464 1/20 0.37
P2RX7 Q99572 1/20 0.36
HTR2C P28335 6/20 0.35
SLC6A4 P31645 6/20 0.35
HTR2A P28223 5/20 0.35
CFD P00746 1/20 0.35
RBP4 P02753 1/20 0.35
HTR4 Q13639 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13690583 1.00 CNR1 (0.52) CNR1CNR2GUCY1A1GUCY1B1KDM4C
SCHEMBL4055448 0.93 CNR1 (0.52) CNR1CNR2GUCY1A1GUCY1B1KDM4C
SCHEMBL4056281 0.92 ROCK1 (0.43) CNR1CNR2ROCK1HTR4
SCHEMBL4049662 0.90 CNR1 (0.59) CNR1CNR2GUCY1A1GUCY1B1KDM4C
SCHEMBL4052498 0.89 CNR1 (0.49) CNR1CNR2GUCY1A1GUCY1B1KDM4C
SCHEMBL13691275 0.89 CNR1 (0.49) CNR1CNR2GUCY1A1GUCY1B1KDM4C
SCHEMBL4054945 0.88 CNR1 (0.67) CNR1CNR2CFDHTR4
SCHEMBL4051743 0.88 CNR1 (0.67) CNR1CNR2CFDHTR4
SCHEMBL13691313 0.88 CNR1 (0.67) CNR1CNR2CFDHTR4
SCHEMBL13691265 0.87 CNR1 (0.50) CNR1CNR2GUCY1A1GUCY1B1KDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed